UCSF

ZINC20893071

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.18 7.92 -11.15 0 4 0 33 324.424 4
Mid Mid (pH 6-8) 3.18 10.15 -45.38 1 4 1 34 325.432 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )